2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide

C11H18N4OS — CID 55247942

IUPAC2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
SMILESCC(C)NC(CCSc1cnccn1)C(N)=O
InChIInChI=1S/C11H18N4OS/c1-8(2)15-9(11(12)16)3-6-17-10-7-13-4-5-14-10/h4-5,7-9,15H,3,6H2,1-2H3,(H2,12,16)
InChIKeyNKIDUZJRTZTHSR-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.81
Rot. Bonds7

About 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide

2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 55247942) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID55247942
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
SMILESCC(C)NC(CCSc1cnccn1)C(N)=O
InChIInChI=1S/C11H18N4OS/c1-8(2)15-9(11(12)16)3-6-17-10-7-13-4-5-14-10/h4-5,7-9,15H,3,6H2,1-2H3,(H2,12,16)
InChIKeyNKIDUZJRTZTHSR-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide (CID 55247942) is 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide is CC(C)NC(CCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is NKIDUZJRTZTHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(2)15-9(11(12)16)3-6-17-10-7-13-4-5-14-10/h4-5,7-9,15H,3,6H2,1-2H3,(H2,12,16).
What are the key properties of 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide?
2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 254.36 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 55247942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).